4-methoxybenzene-1-carboximidamide

• ChemBase ID: 35430
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=N)(c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)C(=N)N
• InChI: InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
• InChIKey: CSISQILZUHMAJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybenzene-1-carboximidamide
• IUPAC Traditional name: 4-methoxybenzenecarboximidamide
• Synonyms: 4-Methoxybenzenecarboximidamide

Database IDs

• CAS Number: 51721-68-7
• MDL Number: MFCD00029547
• PubChem SID: 160998737
• PubChem CID: 229074

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6793636
• LogD (pH = 7.4): -1.6752928
• Log P: 0.73604304
• Molar Refractivity: 54.1937 cm^3
• Polarizability: 16.53411 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false